3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine

C20H43N — CID 88921962

IUPAC3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine
SMILESCCCCC(CCNCCC(CCCC)C(C)C)C(C)C
InChIInChI=1S/C20H43N/c1-7-9-11-19(17(3)4)13-15-21-16-14-20(18(5)6)12-10-8-2/h17-21H,7-16H2,1-6H3
InChIKeyLCFXIXWPXIHSGP-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.28
Rot. Bonds14

About 3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine

3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine (PubChem CID 88921962) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is 3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine
PubChem CID88921962
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC Name3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine
SMILESCCCCC(CCNCCC(CCCC)C(C)C)C(C)C
InChIInChI=1S/C20H43N/c1-7-9-11-19(17(3)4)13-15-21-16-14-20(18(5)6)12-10-8-2/h17-21H,7-16H2,1-6H3
InChIKeyLCFXIXWPXIHSGP-UHFFFAOYSA-N
XLogP6.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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ethane;(3R)-3-ethyl-2-methylheptane
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2-propan-2-yl-N-propylheptan-1-amine
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4-propan-2-yldecane
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N-methyl-4-propan-2-ylheptan-1-amine
CID 139333212
N-ethyl-2-propan-2-ylheptan-1-amine
CID 62529144
2-(3-methylheptylamino)ethanol
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N-ethyl-2-propan-2-yldodecan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine?
The IUPAC name of 3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine (CID 88921962) is 3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine.
What is the SMILES notation for 3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine?
The canonical SMILES for 3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine is CCCCC(CCNCCC(CCCC)C(C)C)C(C)C.
What is the InChIKey of 3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine?
The InChIKey is LCFXIXWPXIHSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-7-9-11-19(17(3)4)13-15-21-16-14-20(18(5)6)12-10-8-2/h17-21H,7-16H2,1-6H3.
What are the key properties of 3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine?
3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine has a molecular weight of 297.57 g/mol, XLogP of 6.28, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine is sourced from PubChem (CID 88921962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).